Search Results - "MATTIOLI, Giuseppe"

Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst by Mattioli, Giuseppe, Giannozzi, Paolo, Amore Bonapasta, Aldo, Guidoni, Leonardo

“…The in-depth understanding of the molecular mechanisms regulating the water oxidation catalysis is of key relevance for the rationalization and the design of…”
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A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II by Narzi, Daniele, Mattioli, Giuseppe, Bovi, Daniele, Guidoni, Leonardo

“…The Mn4CaO5 cluster of photosystem II promotes a crucial step in the oxygenic photosynthesis, namely, the water‐splitting reaction. The structure of such…”
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Large‐Area Semi‐Transparent Luminescent Solar Concentrators Based on Large Stokes Shift Aggregation‐Induced Fluorinated Emitters Obtained Through a Sustainable Synthetic Approach by Corsini, Francesca, Nitti, Andrea, Tatsi, Elisavet, Mattioli, Giuseppe, Botta, Chiara, Pasini, Dario, Griffini, Gianmarco

“…In this study, the design, fabrication, and characterization of semi‐transparent large‐area luminescent solar concentrators (LSCs) in thin‐film configuration…”
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Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs by Mattioli, Giuseppe, Alippi, Paola, Filippone, Francesco, Caminiti, Ruggero, Amore Bonapasta, Aldo

“…The structural and electronic properties of oxygen vacancies (VOx) and titanium interstitials (Ti(i)) in the bulk of the rutile and anatase forms of TiO2 have…”
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Unravelling molecular interactions in uracil clusters by XPS measurements assisted by ab initio and tight-binding simulations by Mattioli, Giuseppe, Avaldi, Lorenzo, Bolognesi, Paola, Bozek, John D., Castrovilli, Mattea C., Chiarinelli, Jacopo, Domaracka, Alicja, Indrajith, Suvasthika, Maclot, Sylvain, Milosavljević, Aleksandar R., Nicolafrancesco, Chiara, Nicolas, Christophe, Rousseau, Patrick

“…The C, N and O 1s XPS spectra of uracil clusters in the gas phase have been measured. A new bottom-up approach, which relies on computational simulations…”
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First demonstration of the use of open-shell derivatives as organic luminophores for transparent luminescent solar concentrators by Mattiello, Sara, Corsini, Francesca, Mecca, Sara, Sassi, Mauro, Ruffo, Riccardo, Mattioli, Giuseppe, Hattori, Yohei, Kusamoto, Tetsuro, Griffini, Gianmarco, Beverina, Luca

“…Luminescent solar concentrators (LSCs) are rapidly emerging as the key enabling technology towards the realization of zero-energy buildings. The development of…”
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Reaction Intermediates in the Photoreduction of Oxygen Molecules at the (101) TiO2 (Anatase) Surface by Mattioli, Giuseppe, Filippone, Francesco, Amore Bonapasta, Aldo

“…The structural, electronic, and vibrational properties of intermediates of the O2 photoreduction at the (101) TiO2 (anatase) surface have been investigated by…”
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Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation by Mattioli, Giuseppe, Dkhil, Sadok Ben, Saba, Maria Ilenia, Malloci, Giuliano, Melis, Claudio, Alippi, Paola, Filippone, Francesco, Giannozzi, Paolo, Thakur, Anil Kumar, Gaceur, Meriem, Margeat, Olivier, Diallo, Abdou Karim, Videlot-Ackermann, Christine, Ackermann, Jörg, Bonapasta, Aldo Amore, Mattoni, Alessandro

“…Atomistic simulations and experimental investigations are combined to study heterojunction interfaces of hybrid polymer solar cells, with the aim to better…”
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Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results by Mattioli, Giuseppe, Risch, Marcel, Amore Bonapasta, Aldo, Dau, Holger, Guidoni, Leonardo

“…Ab initio molecular dynamics simulations of a recently proposed cobalt-based catalyst for water oxidation provide insight into the properties of protons at the…”
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A Solution-Processed Tetra-Alkoxylated Zinc Phthalocyanine as Hole Transporting Material for Emerging Photovoltaic Technologies by Katz, Eugene A., Etgar, Lioz, Visoly-Fisher, Iris, Maman, Nitzan, Caschera, Daniela, Pennesi, Giovanna, Paoletti, Anna Maria, Mattioli, Giuseppe, Zanotti, Gloria, Misra, Ravi K.

“…A tetra-n-butoxy zinc phthalocyanine (n-BuO)4ZnPc has been synthesized in a single step, starting from commercial precursors, and easily purified. The molecule…”
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Glycerol as Reaction Medium for Sonogashira Couplings: A Green Approach for the Synthesis of New Triarylamine-Based Materials with Potential Application in Optoelectronics by Raglione, Venanzio, Palmeri, Federica, Mattioli, Giuseppe, Porcelli, Francesco, Caschera, Daniela, Zanotti, Gloria

“…This study focuses on the design, eco-friendly synthesis, and characterization of several novel three-legged triphenylamine derivatives. By performing…”
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Ab Initio Simulations of Interfaces between SAM-Modified Gold Electrodes and n‑Type or p‑Type Organic Semiconductors Based on the Benzothieno-Benzothiophene (BTBT) Architecture by Mattioli, Giuseppe, Mattiello, Sara, Sassi, Mauro, Beverina, Luca

“…We have investigated the atomistic structure and the electronic properties of selected metal–organic interfaces, commonly found in organic electronic devices,…”
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Atomistic Texture of Amorphous Manganese Oxides for Electrochemical Water Splitting Revealed by Ab Initio Calculations Combined with X‑ray Spectroscopy by Mattioli, Giuseppe, Zaharieva, Ivelina, Dau, Holger, Guidoni, Leonardo

“…Amorphous transition-metal (hydr)­oxides are considered as the most promising catalysts that promote the oxidation of water to molecular oxygen, protons, and…”
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Oxygen vacancies and OH species in rutile and anatase TiO2 polymorphs by AMORE BONAPASTA, Aldo, FILIPPONE, Francesco, MATTIOLI, Giuseppe, ALIPPI, Paola

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Suzuki–Miyaura Micellar One-Pot Synthesis of Symmetrical and Unsymmetrical 4,7-Diaryl-5,6-difluoro-2,1,3-benzothiadiazole Luminescent Derivatives in Water and under Air by Sanzone, Alessandro, Calascibetta, Adiel, Ghiglietti, Erika, Ceriani, Chiara, Mattioli, Giuseppe, Mattiello, Sara, Sassi, Mauro, Beverina, Luca

“…The Suzuki–Miyaura cross-coupling reaction of 4,7-dibromo-5,6-difluoro-2,1,3-benzothiadiazole with different arylboronic acids can be efficiently carried out…”
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Improved Charge Recombination Efficiency in Organic Light‐Emitting Transistors via Luminescent Radicals by Reginato, Francesco, Lunedei, Eugenio, Mattiello, Sara, Baroni, Giulia, Bolognesi, Margherita, Porcelli, Francesco, Mattioli, Giuseppe, Hattori, Yohei, Prosa, Mario, Beverina, Luca, Toffanin, Stefano

“…Abstract Luminescent radicals are attracting attention as emitters in electroluminescent devices thanks to the exploitation of doublet excitons. Recent studies…”
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A membrane intercalating metal-free conjugated organic photosensitizer for bacterial photodynamic inactivation by Magni, Arianna, Mattiello, Sara, Beverina, Luca, Mattioli, Giuseppe, Moschetta, Matteo, Zucchi, Anita, Paternò, Giuseppe Maria, Lanzani, Guglielmo

“…Photodynamic inhibition (PDI) of bacteria represents a powerful strategy for dealing with multidrug-resistant pathogens and infections, as it exhibits minimal…”
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Opposite Hydrogen Behaviors in GaAsN and InAsN Alloys: Band Gap Opening Versus Donor Doping by Filippone, Francesco, Mattioli, Giuseppe, Polimeni, Antonio, Felici, Marco, Bonapasta, Aldo Amore

“…Experiments suggest that atomic H neutralizes the effects of N (i.e., it recovers the host energy gap) without inducing any band-filling effect (i.e., without…”
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Effect of Protonation on the Molecular Structure of Adenosine 5′-Triphosphate: A Combined Theoretical and Near Edge X‑ray Absorption Fine Structure Study by Mattioli, Giuseppe, Schürmann, Robin, Nicolafrancesco, Chiara, Giuliani, Alexandre, Milosavljević, Aleksandar R.

“…The present work combines the near edge X-ray absorption mass spectrometry of a protonated adenosine 5′-triphosphate (ATP) molecule isolated in an ion trap…”
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Insights into the Thermally Activated Cyclization Mechanism in a Linear Phenylalanine-Alanine Dipeptide by Carlini, Laura, Chiarinelli, Jacopo, Mattioli, Giuseppe, Castrovilli, Mattea Carmen, Valentini, Veronica, De Stefanis, Adriana, Bauer, Elvira Maria, Bolognesi, Paola, Avaldi, Lorenzo

“…Dipeptides, the prototype peptides, exist in both linear (l-) and cyclo (c-) structures. Since the first mass spectrometry experiments, it has been observed…”
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